[3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone

C16H13F3O2 — CID 106883266

IUPAC[3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cccc(OC(F)F)c2)c(F)c1
InChIInChI=1S/C16H13F3O2/c1-9-6-10(2)14(13(17)7-9)15(20)11-4-3-5-12(8-11)21-16(18)19/h3-8,16H,1-2H3
InChIKeyLXFSRFUMOBDPKD-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.27
Rot. Bonds4

About [3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone

[3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone (PubChem CID 106883266) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone
PubChem CID106883266
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name[3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cccc(OC(F)F)c2)c(F)c1
InChIInChI=1S/C16H13F3O2/c1-9-6-10(2)14(13(17)7-9)15(20)11-4-3-5-12(8-11)21-16(18)19/h3-8,16H,1-2H3
InChIKeyLXFSRFUMOBDPKD-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299025
(3-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 63492313
[3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 114971543
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26072093
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185
(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone
CID 106880775
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene
CID 171472865
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-(difluoromethoxy)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752611
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone (CID 106883266) is [3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2cccc(OC(F)F)c2)c(F)c1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone?
The InChIKey is LXFSRFUMOBDPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-9-6-10(2)14(13(17)7-9)15(20)11-4-3-5-12(8-11)21-16(18)19/h3-8,16H,1-2H3.
What are the key properties of [3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone?
[3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone has a molecular weight of 294.27 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106883266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).